2-[6-(4-nitrophenyl)carbonyl-1,3-benzodioxol-5-yl]ethanoic acid

Systemtic Name: 2-[6-(4-nitrophenyl)carbonyl-1,3-benzodioxol-5-yl]ethanoic acid Openeye Name: 2-[6-(4-nitrobenzoyl)-1,3-benzodioxol-5-yl]acetic acid CAS Name: 2-[6-[(4-nitrophenyl)-oxomethyl]-1,3-benzodioxol-5-yl]acetic acid IUPAC Name: 2-[6-(4-nitrobenzoyl)-1,3-benzodioxol-5-yl]acetic acid Traditional Name: 2-[6-(4-nitrobenzoyl)-1,3-benzodioxol-5-yl]acetic acid Formula: C16H11NO7 MolecularWeight: 329.26104

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C(=C2)CC(=O)O)C(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C(=C2)CC(=O)O)C(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H11NO7/c18-15(19)6-10-5-13-14(24-8-23-13)7-12(10)16(20)9-1-3-11(4-2-9)17(21)22/h1-5,7H,6,8H2,(H,18,19)